1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one

C12H11ClN2O — CID 82032086

IUPAC1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one
SMILESNc1ccc(Cn2cc(Cl)ccc2=O)cc1
InChIInChI=1S/C12H11ClN2O/c13-10-3-6-12(16)15(8-10)7-9-1-4-11(14)5-2-9/h1-6,8H,7,14H2
InChIKeyOOLXQKOATFSDJV-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.13
Rot. Bonds2

About 1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one

1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one (PubChem CID 82032086) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one
PubChem CID82032086
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one
SMILESNc1ccc(Cn2cc(Cl)ccc2=O)cc1
InChIInChI=1S/C12H11ClN2O/c13-10-3-6-12(16)15(8-10)7-9-1-4-11(14)5-2-9/h1-6,8H,7,14H2
InChIKeyOOLXQKOATFSDJV-UHFFFAOYSA-N
XLogP2.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one
CID 82032049
5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one
CID 130178574
4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one
CID 82476056
1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one
CID 69440465
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
1-[(2-amino-4-chlorophenyl)methyl]-5-bromopyridin-2-one
CID 55036985
5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one
CID 61314187
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
1,5-dibenzylpyridin-2-one
CID 24938871
1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one
CID 69441224
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one
CID 43260250

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one?
The IUPAC name of 1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one (CID 82032086) is 1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one?
The canonical SMILES for 1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one is Nc1ccc(Cn2cc(Cl)ccc2=O)cc1.
What is the InChIKey of 1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one?
The InChIKey is OOLXQKOATFSDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-10-3-6-12(16)15(8-10)7-9-1-4-11(14)5-2-9/h1-6,8H,7,14H2.
What are the key properties of 1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one?
1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one has a molecular weight of 234.69 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one is sourced from PubChem (CID 82032086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).